Tuberculosis (TB) is a devastating disease responsible for millions of humans’ deaths worldwide. It is caused by a mycobacterial organism, the tubercle bacillus or Mycobacterium tuberculosis. Although TB can be treated, cured and can be prevented if patients take prescribed medicines, scientists have never come close to wiping it out due to a sharp rise in the incidence of multidrug-resistant (MDR) and extensively drug-resistant (XDR) mycobacterium strains. Due to long regimen treatment and emergence of MDR and XDR-TB, it is urgent to re-engineer and reposition old drugs for developing new antimycobacterial entities with novel mechanisms of action to achieve effective TB control even against the resistant forms of TB. To combat the dreadful MDR and XDR-TB, potential targets are being extensively searched for the last couple of years for the design and discovery of active potential antitubercular chemotherapeutics. To explore the disease virulence, potential new tubercular target enzymes such as InhA, MmpL3, ATP synthase, DprE1, QcrB and MenA have been taken into consideration in the present study and the structure-based design of the corresponding target inhibitors which are under clinical investigation has been attempted to identify structural features for the discovery of new chemical entities (NCEs) having specificity towards MDR and XDR Mycobacterium tuberculosis (M. tuberculosis).

结核病（TB）是一种毁灭性疾病，导致全球数百万人死亡。它是由分枝杆菌生物，结核杆菌或结核分枝杆菌引起的。尽管如果患者服用处方药可以治疗，治愈和预防结核病，但由于耐多药（MDR）和广泛耐药（XDR）的分枝杆菌的发病率急剧上升，科学家们从未接近将其消灭。株。由于长期的治疗方案以及耐多药和广泛耐药结核的出现，迫切需要对新药进行重新设计和重新定位，以开发具有新颖作用机制的新抗分枝杆菌实体，从而即使对耐药性结核病也能实现有效的结核病控制。为了对抗可怕的MDR和XDR-TB，在过去的几年中，正在广泛地寻找潜在的靶标，以设计和发现有活性的潜在抗结核化学疗法。为了探索疾病的毒力，在本研究中考虑了潜在的新结核病靶酶，例如InhA，MmpL3，ATP合酶，DprE1，QcrB和MenA，并在临床研究中对相应的靶标抑制剂进行了基于结构的设计。已经尝试鉴定用于发现对MDR和XDR结核分枝杆菌（结核分枝杆菌）具有特异性的新化学实体（NCE）的结构特征。